[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C25H28N2O4/c1-2-3-4-9-24(29)27-20-13-10-18(11-14-20)23(28)17-31-25(30)15-12-19-16-26-22-8-6-5-7-21(19)22/h5-8,10-11,13-14,16,26H,2-4,9,12,15,17H2,1H3,(H,27,29)